Find 3-Pyridylamine N-1-Methylethyl-2-1-Piperazinyl manufacturers, exporters & distributors on PharmaCompass

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Chemistry

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Also known as: Akos015965775, Ac-20153, Db-049822, Ft-0745069
Molecular Formula
C12H24Cl2N4O
Molecular Weight
311.25  g/mol
InChI Key
JXYHOZKGJUVECC-UHFFFAOYSA-N

3-Pyridylamine N-1-Methylethyl-2-1-Piperazinyl
1 2D Structure

3-Pyridylamine N-1-Methylethyl-2-1-Piperazinyl

2 Identification
2.1 Computed Descriptors
2.1.1 IUPAC Name
2-piperazin-1-yl-N-propan-2-ylpyridin-3-amine;hydrate;dihydrochloride
2.1.2 InChI
InChI=1S/C12H20N4.2ClH.H2O/c1-10(2)15-11-4-3-5-14-12(11)16-8-6-13-7-9-16;;;/h3-5,10,13,15H,6-9H2,1-2H3;2*1H;1H2
2.1.3 InChI Key
JXYHOZKGJUVECC-UHFFFAOYSA-N
2.1.4 Canonical SMILES
CC(C)NC1=C(N=CC=C1)N2CCNCC2.O.Cl.Cl
2.2 Synonyms
2.2.1 Depositor-Supplied Synonyms

1. Akos015965775

2. Ac-20153

3. Db-049822

4. Ft-0745069

2.3 Create Date
2010-05-14
3 Chemical and Physical Properties
Molecular Weight 311.25 g/mol
Molecular Formula C12H24Cl2N4O
Hydrogen Bond Donor Count5
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass310.1327168 g/mol
Monoisotopic Mass310.1327168 g/mol
Topological Polar Surface Area41.2 Ų
Heavy Atom Count19
Formal Charge0
Complexity201
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently Bonded Unit Count4

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